Reaction Details Report a problem with these data
Target
Glutamate receptor ionotropic, NMDA 2B
Ligand
BDBM50450636
Substrate
n/a
Meas. Tech.
ChEMBL_1743004 (CHEMBL4158754)
Ki
65±n/a nM
Citation
 Bergkemper, M; Kronenberg, E; Thum, S; Börgel, F; Daniliuc, C; Schepmann, D; Nieto, FR; Brust, P; Reinoso, RF; Alvarez, I; Wünsch, B Synthesis, Receptor Affinity, and Antiallodynic Activity of Spirocyclic ? Receptor Ligands with Exocyclic Amino Moiety. J Med Chem 61:9666-9690 (2018) [PubMed]  Article 
Target
Name:
Glutamate receptor ionotropic, NMDA 2B
Synonyms:
GRIN2B | GluN2B | Glutamate [NMDA] receptor subunit epsilon 2 | Glutamate [NMDA] receptor subunit epsilon-2 | N-methyl D-aspartate receptor subtype 2B | N-methyl-D-aspartate receptor subunit 3 | NMDAR2B | NMDE2_HUMAN | NR3 | hNR3
Type:
PROTEIN
Mol. Mass.:
166375.46
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438829
Residue:
1484
Sequence:
MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPAEFPTGLISVSYDEWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRIVTENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRSNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLFYWQFRHCFMGVCSGKPGMVFSISRGIYSCIHGVAIEERQSVMNSPTATMNNTHSNILRLLRTAKNMANLSGVNGSPQSALDFIRRESSVYDISEHRRSFTHSDCKSYNNPPCEENLFSDYISEVERTFGNLQLKDSNVYQDHYHHHHRPHSIGSASSIDGLYDCDNPPFTTQSRSISKKPLDIGLPSSKHSQLSDLYGKFSFKSDRYSGHDDLIRSDVSDISTHTVTYGNIEGNAAKRRKQQYKDSLKKRPASAKSRREFDEIELAYRRRPPRSPDHKRYFRDKEGLRDFYLDQFRTKENSPHWEHVDLTDIYKERSDDFKRDSVSGGGPCTNRSHIKHGTGDKHGVVSGVPAPWEKNLTNVEWEDRSGGNFCRSCPSKLHNYSTTVTGQNSGRQACIRCEACKKAGNLYDISEDNSLQELDQPAAPVAVTSNASTTKYPQSPTNSKAQKKNRNKLRRQHSYDTFVDLQKEEAALAPRSVSLKDKGRFMDGSPYAHMFEMSAGESTFANNKSSVPTAGHHHHNNPGGGYMLSKSLYPDRVTQNPFIPTFGDDQCLLHGSKSYFFRQPTVAGASKARPDFRALVTNKPVVSALHGAVPARFQKDICIGNQSNPCVPNNKNPRAFNGSSNGHVYEKLSSIESDV
  
Inhibitor
Name:
BDBM50450636
Synonyms:
CHEMBL4170683
Type:
Small organic molecule
Emp. Form.:
C26H39FN2O
Mol. Mass.:
414.5991
SMILES:
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(21.73,-5.98,;23.06,-6.76,;24.4,-6,;25.73,-6.78,;27.06,-6.02,;28.38,-6.79,;29.71,-6.01,;31.04,-6.78,;31.05,-8.33,;29.71,-9.1,;28.38,-8.33,;27.04,-9.09,;25.7,-9.85,;25.7,-11.38,;27.02,-12.16,;28.36,-11.4,;28.37,-9.86,;27.01,-13.7,;25.67,-14.45,;25.65,-15.99,;26.98,-16.77,;28.32,-16.01,;28.34,-14.47,;26.97,-18.31,;25.62,-19.06,;25.6,-20.59,;26.92,-21.39,;28.27,-20.63,;28.29,-19.09,;25.72,-8.32,)|
Structure:
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